(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine

C14H20N4O — CID 105184703

IUPAC(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCCCCOc1ccc(C(N)c2cnnn2C)cc1
InChIInChI=1S/C14H20N4O/c1-3-4-9-19-12-7-5-11(6-8-12)14(15)13-10-16-17-18(13)2/h5-8,10,14H,3-4,9,15H2,1-2H3
InChIKeyHUIICGJFYYDEHE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.04
Rot. Bonds6

About (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine

(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 105184703) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine
PubChem CID105184703
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCCCCOc1ccc(C(N)c2cnnn2C)cc1
InChIInChI=1S/C14H20N4O/c1-3-4-9-19-12-7-5-11(6-8-12)14(15)13-10-16-17-18(13)2/h5-8,10,14H,3-4,9,15H2,1-2H3
InChIKeyHUIICGJFYYDEHE-UHFFFAOYSA-N
XLogP2.04
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686850
(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105043493
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
(4-butoxyphenyl)-(2-methylphenyl)methanamine
CID 105094897
(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686969
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778
1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 105098336

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine (CID 105184703) is (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine is CCCCOc1ccc(C(N)c2cnnn2C)cc1.
What is the InChIKey of (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is HUIICGJFYYDEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-4-9-19-12-7-5-11(6-8-12)14(15)13-10-16-17-18(13)2/h5-8,10,14H,3-4,9,15H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine?
(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 105184703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).